SCHEMBL354016

SCHEMBL354016

CN(Cc1nsc(NC(=O)NCc2cccc(F)c2)n1)C(=O)c1n[nH]c(=O)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 4/20 0.41
TP53 P04637 2/20 0.40
ATG4B Q9Y4P1 1/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.38
SCD5 Q86SK9 1/20 0.38
NAMPT P43490 2/20 0.37
PARP1 P09874 1/20 0.37
MMP3 P08254 1/20 0.37
RAB9A P51151 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL354443 0.87 ROCK2 (0.49) L3MBTL1ROCK2ROCK1NR1H4KMT2A
SCHEMBL19119139 0.87 MAPK1 (0.44) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL351886 0.85 SMN1; SMN2 (0.44) L3MBTL1ROCK2ROCK1KMT2AMEN1
SCHEMBL352295 0.85 ROCK2 (0.43) ROCK2ROCK1MAPTMAPK1TP53
SCHEMBL352889 0.83 KMT2A (0.43) L3MBTL1NR1H4KMT2AMEN1MAPK1
SCHEMBL353270 0.82 ROCK2 (0.45) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL352804 0.82 ROCK2 (0.48) ROCK2ROCK1MAPTMAPK1TP53
SCHEMBL353291 0.81 ROCK2 (0.48) ROCK2ROCK1KMT2AMEN1MAPT
SCHEMBL19119260 0.81 ROCK2 (0.42) ROCK2ROCK1MAPTMAPK1TP53
Cyclopentane SCHEMBL19119283 0.80 ROCK2 (0.50) ROCK2ROCK1KMT2AMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US disclosed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA L3MBTL1 4619/4885ROCK2 4626/4885ROCK1 4747/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.